TPCN06218

Name 3-[(O-??-D-glucopyranosyl-(1??3)-??-L-arabinopyranosyl)oxy]-30-noroleana-12,20(29)- dien-28-oic acid
Molecular Formula C40H62O12
Molecular Weight 734.92
CAS Registry Number 1260096-74-9
SMILES C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Larrea tridentata Aerial parts 0.000207% Phytochemistry . 2010 Dec;71(17-18):2157-67 10.1016/j.phytochem.2010.09.012
Properties
HBA 12 HBD 7
HeavyAtoms 52 AlogP 2.49
TPSA 195.60 RotatableBonds 5
FractionCSP3 0.88 Rings 7
AromaticRings 0 AliphaticRings 7